SCHEMBL30005041

SCHEMBL30005041

Cn1cncc1-c1ccc2cnc(NC(=O)[C@H]3CC[C@H](CN4CC(F)C4)CC3)cc2c1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.76
DYRK1A Q13627 20/20 0.76
WNT1 P04628 16/20 0.76

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19516495 1.00 GSK3B (0.76) GSK3BDYRK1AWNT1
SCHEMBL19516494 1.00 GSK3B (0.76) GSK3BDYRK1AWNT1
SCHEMBL19516469 0.89 GSK3B (0.77) GSK3BDYRK1AWNT1
SCHEMBL30004348 0.89 GSK3B (0.77) GSK3BDYRK1AWNT1
SCHEMBL19516470 0.89 GSK3B (0.77) GSK3BDYRK1AWNT1
SCHEMBL19516500 0.87 GSK3B (0.76) GSK3BDYRK1AWNT1
SCHEMBL19515356 0.87 GSK3B (0.76) GSK3BDYRK1AWNT1
SCHEMBL30005101 0.87 GSK3B (0.76) GSK3BDYRK1AWNT1
SCHEMBL19515355 0.87 GSK3B (0.76) GSK3BDYRK1AWNT1
SCHEMBL30004703 0.87 GSK3B (0.76) GSK3BDYRK1AWNT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109311819-B Isoquinolin-3-yl carboxamides, their preparation and their use 萨穆梅德有限公司 2022-10-25 CN claimed